$quantum-bound-states

(1D only)

Finds out all eigenfunctions which are localized within a certain region where one expects bound states for example. The quantum states are specified by a certain threshold fraction of \(psi\) within the region [x-left, x-right]. This is necessary for large quantum clusters which extend far beyond the region of interest and therefore have many irrelevant eigenstates.

$quantum-bound-states                     optional
 set-number                   integer     required
 quantum-region               integer     optional
 num-schroedinger-equation    integer     optional
 charge                       character   optional
 x-left                       double      optional
 x-right                      double      optional
 threshold                    double      optional
$end_quantum-bound-states                 optional

Syntax

set-number

type:

integer

presence:

required

example:

1

Number to distinguish different sets of localized states. Has to be in ascending order.

quantum-region

type:

integer

example:

1

Number of quantum cluster in which to look for localized states.

num-schroedinger-equation

type:

integer

example:

1

Number of Schrödinger equation in which to look for localized states.

charge

type:

character

value:

el or hl

Flag whether electrons or holes are regarded.

x-left

type:

double

unit:

[nm]

example:

20.0

left boundary of localization region

x-right

type:

double

unit:

[nm]

example:

40.0

right boundary of localization region

threshold

type:

double

unit:

[]

example:

0.6

Minimum fraction of \(\psi^2\) of certain eigenstate within [x-left, x-right] to be regarded as localized state.